메뉴 건너뛰기




Volumn 29, Issue SUPPL. 1, 1997, Pages 221-225

CASP2 experiences with docking flexible ligands using FLEXX

Author keywords

Conformational analysis; Drug design; Flexible docking; Molecular docking; Molecular flexibility; Protein ligand interaction

Indexed keywords

ARTICLE; COMPUTER PROGRAM; DRUG DESIGN; LIGAND BINDING; PREDICTION; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN STRUCTURE; STRUCTURE ANALYSIS; CHEMICAL STRUCTURE; CHEMISTRY; METABOLISM;

EID: 0031296686     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-0134(1997)1+<221::AID-PROT30>3.0.CO;2-O     Document Type: Article
Times cited : (61)

References (15)
  • 1
    • 0001650642 scopus 로고
    • A good ligand is hard to find: Automated docking methods
    • Blaney, J.M., Dixon, J.S. A good ligand is hard to find: Automated docking methods. Perspect. Drug Discovery Design 1:301-319, 1993.
    • (1993) Perspect. Drug Discovery Design , vol.1 , pp. 301-319
    • Blaney, J.M.1    Dixon, J.S.2
  • 2
    • 0028584446 scopus 로고
    • Structure-based drug design
    • Colman, P.M. Structure-based drug design. Curr. Opin. Struct. Biol 4:868-874, 1994.
    • (1994) Curr. Opin. Struct. Biol , vol.4 , pp. 868-874
    • Colman, P.M.1
  • 3
    • 0026730489 scopus 로고
    • Structure-based strategies for drug design and discovery
    • Kuntz, I.D. Structure-based strategies for drug design and discovery. Science 257:1078-1082, 1992.
    • (1992) Science , vol.257 , pp. 1078-1082
    • Kuntz, I.D.1
  • 4
    • 0029902763 scopus 로고    scopus 로고
    • Computational methods for biomolecular docking
    • Lengauer, T., Rarey, M. Computational methods for biomolecular docking. Curr. Opin. Struct. Biol. 6:402-406, 1996.
    • (1996) Curr. Opin. Struct. Biol. , vol.6 , pp. 402-406
    • Lengauer, T.1    Rarey, M.2
  • 5
    • 0029062909 scopus 로고
    • Ligand-protein docking and rational drug design
    • Lybrand, T.P. Ligand-protein docking and rational drug design. Curr. Opin. Struct. Biol. 5:224-228, 1995.
    • (1995) Curr. Opin. Struct. Biol. , vol.5 , pp. 224-228
    • Lybrand, T.P.1
  • 8
    • 0030599010 scopus 로고    scopus 로고
    • A fast flexible docking method using an incremental construction algorithm
    • Rarey, M., Kramer, B., Lengauer, T., Klebe, G. A fast flexible docking method using an incremental construction algorithm. J. Mol. Biol. 261:470-489, 1996.
    • (1996) J. Mol. Biol. , vol.261 , pp. 470-489
    • Rarey, M.1    Kramer, B.2    Lengauer, T.3    Klebe, G.4
  • 9
    • 0030076041 scopus 로고    scopus 로고
    • Placement of medium-sized molecular fragments into active sites of proteins
    • Rarey, M., Wefing, S., Lengauer, T. Placement of medium-sized molecular fragments into active sites of proteins. J. Comput. Aided Mol. Design 10:41-54, 1996.
    • (1996) J. Comput. Aided Mol. Design , vol.10 , pp. 41-54
    • Rarey, M.1    Wefing, S.2    Lengauer, T.3
  • 10
    • 0028522365 scopus 로고
    • A fast and efficient method to generate biologically relevant conformations
    • Klebe, G., Mietzner, T. A fast and efficient method to generate biologically relevant conformations. J. Comput. Aided Mol. Design 8:583-606, 1994.
    • (1994) J. Comput. Aided Mol. Design , vol.8 , pp. 583-606
    • Klebe, G.1    Mietzner, T.2
  • 11
    • 0011852973 scopus 로고
    • Systematic conformational analysis: A microcomputer method for the semiquantitative evaluation of polycyclic systems containing five-, six-, and seven-membered rings. 1. Program characteristics
    • De Clercq, P.J. Systematic conformational analysis: A microcomputer method for the semiquantitative evaluation of polycyclic systems containing five-, six-, and seven-membered rings. 1. Program characteristics. Tetrahedron 40:3717-3727, 1984.
    • (1984) Tetrahedron , vol.40 , pp. 3717-3727
    • De Clercq, P.J.1
  • 12
    • 0027027467 scopus 로고
    • LUDI: Rule-based automatic design of new substituents for enzyme inhibitor leads
    • Böhm, H.-J. LUDI: Rule-based automatic design of new substituents for enzyme inhibitor leads. J. Comput. Aided Mol. Design 6:593-606, 1992.
    • (1992) J. Comput. Aided Mol. Design , vol.6 , pp. 593-606
    • Böhm, H.-J.1
  • 13
    • 0028454828 scopus 로고
    • The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure
    • Böhm, H.-J. The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure. J. Comput. Aided Mol. Design 8:243-256, 1994.
    • (1994) J. Comput. Aided Mol. Design , vol.8 , pp. 243-256
    • Böhm, H.-J.1
  • 14
    • 0031181870 scopus 로고    scopus 로고
    • Multiple automatic base selection: Protein-ligand docking based on incremental construction without manual intervention
    • Rarey, M., Kramer, B., Lengauer, T. Multiple automatic base selection: Protein-ligand docking based on incremental construction without manual intervention. J. Comput. Aided Mol. Design 11:369-384, 1997.
    • (1997) J. Comput. Aided Mol. Design , vol.11 , pp. 369-384
    • Rarey, M.1    Kramer, B.2    Lengauer, T.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.